2-[4-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(1-oxoisothiochromene-3-carbonyl)amino]phenyl]acetic acid CAS Name: 2-[4-[[oxo-(1-oxo-2-benzothiopyran-3-yl)methyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(1-oxoisothiochromene-3-carbonyl)amino]phenyl]acetic acid Traditional Name: 2-[4-[(1-ketoisothiochromene-3-carbonyl)amino]phenyl]acetic acid Formula: C18H13NO4S MolecularWeight: 339.36512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C18H13NO4S/c20-16(21)9-11-5-7-13(8-6-11)19-17(22)15-10-12-3-1-2-4-14(12)18(23)24-15/h1-8,10H,9H2,(H,19,22)(H,20,21)